SCHEMBL8631394

SCHEMBL8631394

Cc1ccc(-c2c(NS(=O)(=O)c3ccccc3)nn(Cc3ccccc3)c2COCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
FPR1 P21462 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TP53 P04637 1/20 0.39
CDC7 O00311 1/20 0.39
LIMK2 P53671 1/20 0.38
NPY5R Q15761 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
AGTR1 P30556 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8630543 0.92 SMN1; SMN2 (0.46) ARALDH1A1FPR1MAPTSMN1; SMN2
SCHEMBL8630518 0.91 AR (0.43) ARPTGS2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8632227 0.90 GAA (0.43) ARPTGS2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8633054 0.89 SMN1; SMN2 (0.41) ARALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8635630 0.89 AR (0.40) ARALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8634658 0.87 PTGS2 (0.46) PTGS2ALDH1A1FPR1MAPTSMN1; SMN2
SCHEMBL8635051 0.85 SMN1; SMN2 (0.42) ARPTGS2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8635571 0.84 PTGDR2 (0.48) PTGS2ALDH1A1FPR1MAPTSMN1; SMN2
SCHEMBL8632160 0.84 CCR4 (0.41) PTGS2TP53
SCHEMBL8631648 0.82 AR (0.41) ARPTGS2ALDH1A1MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed